4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide

C19H22N2O3 — CID 48845743

IUPAC4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21-18(23)14-7-5-13(6-8-14)17(22)20-15-9-11-16(24-4)12-10-15/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeySYWDSSVAMZBUDE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds4

About 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 48845743) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID48845743
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21-18(23)14-7-5-13(6-8-14)17(22)20-15-9-11-16(24-4)12-10-15/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeySYWDSSVAMZBUDE-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide (CID 48845743) is 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is SYWDSSVAMZBUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)21-18(23)14-7-5-13(6-8-14)17(22)20-15-9-11-16(24-4)12-10-15/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 48845743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).